N-ethyl-1-(3-phenylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide

C20H23N5O — CID 56915408

IUPACN-ethyl-1-(3-phenylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cn(CCCc2ccccc2)nn1
InChIInChI=1S/C20H23N5O/c1-2-24(15-18-10-12-21-13-11-18)20(26)19-16-25(23-22-19)14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,16H,2,6,9,14-15H2,1H3
InChIKeyBJCYYJXWUDPEJH-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.97
Rot. Bonds8

About N-ethyl-1-(3-phenylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide

N-ethyl-1-(3-phenylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide (PubChem CID 56915408) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-ethyl-1-(3-phenylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(3-phenylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
PubChem CID56915408
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-ethyl-1-(3-phenylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cn(CCCc2ccccc2)nn1
InChIInChI=1S/C20H23N5O/c1-2-24(15-18-10-12-21-13-11-18)20(26)19-16-25(23-22-19)14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,16H,2,6,9,14-15H2,1H3
InChIKeyBJCYYJXWUDPEJH-UHFFFAOYSA-N
XLogP2.97
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-phenylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-ethyl-1-(3-phenylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide (CID 56915408) is N-ethyl-1-(3-phenylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(3-phenylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-(3-phenylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide is CCN(Cc1ccncc1)C(=O)c1cn(CCCc2ccccc2)nn1.
What is the InChIKey of N-ethyl-1-(3-phenylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide?
The InChIKey is BJCYYJXWUDPEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-24(15-18-10-12-21-13-11-18)20(26)19-16-25(23-22-19)14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,16H,2,6,9,14-15H2,1H3.
What are the key properties of N-ethyl-1-(3-phenylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide?
N-ethyl-1-(3-phenylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-phenylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 56915408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).